| CAS Number | 1330765-10-0 |
| Catalog Number | AG00HSS1(AGN-PC-0WG4SO) |
| Chemical Name | tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate |
| IUPAC Name | tert-butyl 3-(hydroxymethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate |
| InChI | InChI=1S/C15H25N3O3/c1-10(2)18-13-8-17(14(20)21-15(3,4)5)7-6-11(13)12(9-19)16-18/h10,19H,6-9H2,1-5H3 |
| InChI Key | SLTDSGKMXDLABH-UHFFFAOYSA-N |
| MDL Number | MFCD20231198 |
| Molecular Formula | C15H25N3O3 |
| Molecular Weight | 295.3773 |
| SMILES | CC(C)n1nc(CO)c2CCN(Cc12)C(=O)OC(C)(C)C |
| Synonyms | tert-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate,
1330765-10-0,
MFCD20231198,
CS-0037794,
t-Butyl 3-(hydroxymethyl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.19g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.383g/mol |
| Monoisotopic Mass | 295.19g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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